2-(2-methylpropylidene)oxirane

C6H10O — CID 57068737

IUPAC2-(2-methylpropylidene)oxirane
SMILESCC(C)C=C1CO1
InChIInChI=1S/C6H10O/c1-5(2)3-6-4-7-6/h3,5H,4H2,1-2H3
InChIKeyDZNXXJXCTJTALS-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.56
Rot. Bonds1

About 2-(2-methylpropylidene)oxirane

2-(2-methylpropylidene)oxirane (PubChem CID 57068737) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 2-(2-methylpropylidene)oxirane.

Molecular Properties

Compound Name2-(2-methylpropylidene)oxirane
PubChem CID57068737
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name2-(2-methylpropylidene)oxirane
SMILESCC(C)C=C1CO1
InChIInChI=1S/C6H10O/c1-5(2)3-6-4-7-6/h3,5H,4H2,1-2H3
InChIKeyDZNXXJXCTJTALS-UHFFFAOYSA-N
XLogP1.56
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylidene)oxirane?
The IUPAC name of 2-(2-methylpropylidene)oxirane (CID 57068737) is 2-(2-methylpropylidene)oxirane.
What is the SMILES notation for 2-(2-methylpropylidene)oxirane?
The canonical SMILES for 2-(2-methylpropylidene)oxirane is CC(C)C=C1CO1.
What is the InChIKey of 2-(2-methylpropylidene)oxirane?
The InChIKey is DZNXXJXCTJTALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-5(2)3-6-4-7-6/h3,5H,4H2,1-2H3.
What are the key properties of 2-(2-methylpropylidene)oxirane?
2-(2-methylpropylidene)oxirane has a molecular weight of 98.14 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylidene)oxirane is sourced from PubChem (CID 57068737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).